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Search term: 64916 (Found by CSID)
ChemSpider 2D Image | Olaquindox [BAN:INN] | C12H13N3O4

Olaquindox [BAN:INN]

  • Molecular FormulaC12H13N3O4
  • Average mass263.249 Da
  • Monoisotopic mass263.090607 Da
  • ChemSpider ID64916

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,4-Dioxyde de N-(2-hydroxyéthyl)-3-méthyl-2-quinoxalinecarboxamide [French] [ACD/IUPAC Name]
2-(N-(2-Hydroxyethyl)karbamoyl)-3-methylchinoxalin-1,4-dioxid [Czech]
23696-28-8 [RN]
245-832-7 [EINECS]
2-Quinoxalinecarboxamide, N-(2-hydroxyethyl)-3-methyl-, 1,4-dioxide [ACD/Index Name]
3-[(2-hydroxyethyl)carbamoyl]-2-methylquinoxaline-1,4-diium-1,4-bis(olate)
G3LAW9U88T
MFCD00210341 [MDL number]
N-(2-Hydroxyethyl)-3-methyl-2-chinoxalincarboxamid-1,4-dioxid [German] [ACD/IUPAC Name]
N-(2-Hydroxyethyl)-3-methyl-2-quinoxalinecarboxamide 1,4-dioxide [ACD/IUPAC Name]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3536 [DBID]
33987_RIEDEL [DBID]
AIDS135356 [DBID]
AIDS-135356 [DBID]
BRN 0758489 [DBID]
CCRIS 3001 [DBID]
HSDB 7025 [DBID]
NSC634933 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.651
    Molar Refractivity: 66.9±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -2.20
    ACD/LogD (pH 5.5): -0.83
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.47
    ACD/LogD (pH 7.4): -0.83
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.47
    Polar Surface Area: 100 Å2
    Polarizability: 26.5±0.5 10-24cm3
    Surface Tension: 60.4±7.0 dyne/cm
    Molar Volume: 183.4±7.0 cm3

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -2.44

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  663.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  289.05  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.3E-019  (Modified Grain method)
    Subcooled liquid VP: 2.82E-016 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.166e+005
       log Kow used: -2.44 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Acrylamides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.62E-026  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.841E-025 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -2.44  (KowWin est)
  Log Kaw used:  -23.830  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.390
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9906
   Biowin2 (Non-Linear Model)     :   0.9554
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7209  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.8014  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3366
   Biowin6 (MITI Non-Linear Model):   0.1681
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4460
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.76E-014 Pa (2.82E-016 mm Hg)
  Log Koa (Koawin est  ): 21.390
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.98E+007 
       Octanol/air (Koa) model:  6.03E+008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  31.0216 E-12 cm3/molecule-sec
      Half-Life =     0.345 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.137 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  92.99
      Log Koc:  1.968 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -2.44 (estimated)

 Volatilization from Water:
    Henry LC:  3.62E-026 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.629E+022  hours   (1.095E+021 days)
    Half-Life from Model Lake : 2.868E+023  hours   (1.195E+022 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.39e-009       6.16         1000       
   Water     46.5            900          1000       
   Soil      53.5            1.8e+003     1000       
   Sediment  0.0892          8.1e+003     0          
     Persistence Time: 973 hr

    Click to predict properties on the Chemicalize site


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